Crystallography Open Database

Information card for entry 7127332

Preview

Coordinates	7127332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H54 N4 O15 Zn4
Calculated formula	C53.5 H54 N4 O15 Zn4
Title of publication	An in situ approach to functionalize metal-organic frameworks with tertiary aliphatic amino groups.
Authors of publication	Xi, Fu-Gui; Sun, Wei; Dong, Zhi-Yun; Yang, Ning-Ning; Gong, Teng; Gao, En-Qing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	86
Pages of publication	13177 - 13180
a	22.3686 ± 0.0014 Å
b	25.4298 ± 0.0015 Å
c	17.1469 ± 0.0013 Å
α	90°
β	101.016 ± 0.002°
γ	90°
Cell volume	9573.9 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1737
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2083
Weighted residual factors for all reflections included in the refinement	0.2655
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260601 (current)	2021-01-07	cif/ Updating files of 7127332 Original log message: Adding full bibliography for 7127332.cif.	7127332.cif
256781	2020-09-26	cif/ Adding structures of 7127332 via cif-deposit CGI script.	7127332.cif